Vitas-M small molecule compound

methyl 4-[(12aS)-2-(butan-2-yl)-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate

Catalog ID
STL537820
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C(CC)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C26H27N3O4 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4/c1-4-15(2)28-14-22(30)29-21(25(28)31)13-19-18-7-5-6-8-20(18)27-23(19)24(29)16-9-11-17(12-10-16)26(32)33-3/h5-12,15,21,24,27H,4,13-14H2,1-3H3/t15?,21-,24?/m0/s1
InChIKey
GNESTVCFFQFVHB-RDNFPUQESA-N
Synonyms
956919-15-6
16401881
956919156
COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C(CC)C
InChI=1SC26H27N3O4c1415(2)281422(30)2921(25(28)31)131918756820(18)2723(19)24(29)1691117(121016)26(32)333h51215212427H41314H213H3t15?2124?m0s1
methyl4((12aS)2(butan2yl)14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((12aS)2(secbutyl)14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((8~(S))6butan2yl47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen2yl)benzoate
MFCD05677074
ZINC000002125511
ZINC000012871903

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Available files

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